SCHEMBL9105547

SCHEMBL9105547

COC(=O)c1cc2nc(-c3ccccc3)nn2cc1C.COC(=O)c1ccn2nc(-c3ccccc3)nc2c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
PARP1 P09874 1/20 0.42
PDE10A Q9Y233 5/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CSNK1D P48730 1/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
DCTPP1 Q9H773 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9113687 0.89 MAPT (0.45) PDE10AMAPTALDH1A1KDM4EHPGD
SCHEMBL9107846 0.88 DHODH (0.52) DHODHPARP1MAPTALDH1A1KDM4E
SCHEMBL9109492 0.78 PDE10A (0.49) DHODHPARP1PDE10AMAPTALDH1A1
SCHEMBL9109597 0.77 MAPT (0.44) DHODHPARP1PDE10AMAPTALDH1A1
SCHEMBL9109886 0.77 DHODH (0.64) DHODHPARP1PDE10AMAPTALDH1A1
SCHEMBL30943164 0.71 ALDH1A1 (0.53) PDE10AMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6885011 0.67 ADORA2A (0.47) DHODHPARP1MAPTALDH1A1KDM4E
SCHEMBL9106471 0.67 PDE10A (0.47) PDE10AALDH1A1HPGD
SCHEMBL9105327 0.66 PDE10A (0.62) PDE10AMAPTKDM4ELMNA
SCHEMBL9108519 0.66 DHODH (0.49) DHODHPARP1PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B DHODH 637/4885PARP1 1311/4885PDE10A 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.